Divanillin
Grundinformationen
- CAS
2092-49-1- Standard-SMILES
COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2O)c1O- InChIKey
NSTQUZVZBUTVPY-UHFFFAOYSA-N- Summenformel
- C16H14O6
- Durchschnittliche Molmasse
- 302,28 g/mol
- Monoisotopische Masse
- 302,07903816
Namen und Bezeichner
- Bevorzugter Name
- Divanillin
- IUPAC
- 3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
- Englischer Name
- 6,6'-DIHYDROXY-5,5'-DIMETHOXY-[1,1'-BIPHENYL]-3,3'-DICARBOXALDEHYDE
- Summenformel
- C16H14O6
- Molmasse
- 302.28
Namen und Synonyme
2092-49-1DehydrodivanillinDivanillin5,5'-Bivanillin3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde[1,1'-Biphenyl]-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-29PYY1H4BTNSC-16723FEMA NO. 41073,3'-Biphenyldicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-DTXSID30862830(1,1'-Biphenyl)-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-
Weitere Namen anzeigen
Dehydrovanillin6 6'-DIHYDROXY-5 5'-DIMETHOXY-(1 1'-BIP&6,6'-dihydroxy-5,5'-dimethoxy-(1,1'-biphen -yl)-35,5'-Dimethoxy-6,6'-dihydroxybiphenyl-3,3'-dicarbaldehyde2,2'-Dihydroxy-3,3'-dimethoxy-1,1'-biphenyl-5,5'-dicarbaldehyde
RefChem:589868DTXCID508115476,6'-Dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehydeMFCD001568886,6'-Dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-dicarboxaldehydeDehydrodivanillin (~90%, contains up to 10% unknown inorganics)6,6'-Dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-dicarboxaldehyde6,6'-DIHYDROXY-5,5'-DIMETHOXY-[1,1'-BIPHENYL]-3,3'-DICARBALDEHYDE
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 93,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 351
Experimentelle und physikochemische Eigenschaften
Solubility
Practically insoluble to insoluble in water; soluble in benzyl alcohol
Soluble (in ethanol)
Melting Point315.00 °C. @ 760.00 mm Hg
Physical DescriptionWhite solid; Fruity vanilla aroma
Physikochemische Eigenschaften
- Schmelzpunkt
- 315 °C · 315 °C(lit.)
- Siedepunkt
- 486.3 · 486.3±45.0 °C(Predicted)
- Dichte
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- FEMA
- 4107 · 4107 | DIVANILLIN
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- DMSO (Slightly), Ethanol (Slightly, Heated), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 6.62 · 6.62±0.48(Predicted)
- Farbe
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (99.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesAcute Tox. 4 (99.3%)；Eye Irrit. 2 (100%)
Regulatorische Informationen
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Sicherheitsdaten
- risk_code
- 22-36
- hazard_code
- Xn
- safety_code
- 26-36
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
Anwendungen
VerwendenDehydrodivanillin is used as a reactant in the preparation of antioxidant phenolic diaryl hydrazones as antiangiogenic agents for atherosclerosis therapy. Also used as a taste enhancer.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter44 Anbieter
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Zugehörige Reaktionen
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Notizen zur Verbindung
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